KINISOT.py v 2.0.1: 2023-07-20 03:20 Unable to find vibrational scaling factor for RB3LYP/6-31+G(d,p); using value of 1.0 Temp = 210.15K / Vib. scale factor = 1.0 V-ratio ZPE EXC TRPF KIE 1D-tunn corr-KIE o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01_reactant -------------------------------------------------------------------------- o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01 376.2 o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01_reactant: iso @ 13 1.561e+02 1.051e+00 2.659e+00 o Endo_TS1_G03_PCM_carbon_tetrachloride_v_01: iso @ 13 358.6 6.291e+01 1.032e+00 2.741e+00 -------------------------------------------------------------------------- KIE @ 210.15 K 1.049188 2.480755 1.018468 0.970243 2.571963 1.028867 2.646208 --------------------------------------------------------------------------